3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide

C22H25N5O3 — CID 25019255

IUPAC3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Oc2cccc(NC(=O)Nc3cc(C(C)(C)C)[nH]n3)c2)c1
InChIInChI=1S/C22H25N5O3/c1-22(2,3)18-13-19(27-26-18)25-21(29)24-15-8-6-10-17(12-15)30-16-9-5-7-14(11-16)20(28)23-4/h5-13H,1-4H3,(H,23,28)(H3,24,25,26,27,29)
InChIKeyWGTGBBYSTFTSFN-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.50
Rot. Bonds5

About 3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide

3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide (PubChem CID 25019255) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide
PubChem CID25019255
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Oc2cccc(NC(=O)Nc3cc(C(C)(C)C)[nH]n3)c2)c1
InChIInChI=1S/C22H25N5O3/c1-22(2,3)18-13-19(27-26-18)25-21(29)24-15-8-6-10-17(12-15)30-16-9-5-7-14(11-16)20(28)23-4/h5-13H,1-4H3,(H,23,28)(H3,24,25,26,27,29)
InChIKeyWGTGBBYSTFTSFN-UHFFFAOYSA-N
XLogP4.50
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-cyanophenyl)urea
CID 104620477
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620496
1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 63818723
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]urea
CID 5326866
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
4-[(3-methoxyphenyl)carbamoylamino]-N-methylbenzamide
CID 17180805
N-methyl-3-(2-methylphenoxy)benzamide
CID 143860787
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55976049
1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140
3-(4-bromophenoxy)-N-methylbenzamide
CID 169337021

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide?
The IUPAC name of 3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide (CID 25019255) is 3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide.
What is the SMILES notation for 3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide?
The canonical SMILES for 3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide is CNC(=O)c1cccc(Oc2cccc(NC(=O)Nc3cc(C(C)(C)C)[nH]n3)c2)c1.
What is the InChIKey of 3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide?
The InChIKey is WGTGBBYSTFTSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-22(2,3)18-13-19(27-26-18)25-21(29)24-15-8-6-10-17(12-15)30-16-9-5-7-14(11-16)20(28)23-4/h5-13H,1-4H3,(H,23,28)(H3,24,25,26,27,29).
What are the key properties of 3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide?
3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide has a molecular weight of 407.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide is sourced from PubChem (CID 25019255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).